CC(C)Cc1cc(CCC(=O)O)ccc1-c1ccc(-c2ccc(OCC(=O)O)c(Cc3cccc4ccccc34)c2CC(C)C)cc1
SMILES: CC(C)Cc1cc(CCC(=O)O)ccc1-c1ccc(-c2ccc(OCC(=O)O)c(Cc3cccc4ccccc34)c2CC(C)C)cc1

Molecular Processing

Molecular formula
C42H44O5
Molecular weight
628.81
Exact mass
628.3189
XLogP
9.64
TPSA
83.83
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
47
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
190.24

Supplementary Information

Obteniendo detalles…

Participa en 2 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→